6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide

C19H30N2O2 — CID 67956378

IUPAC6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-5-6-7-10-21-13-15(18(23)20-12-14-8-9-14)16(22)11-17(21)19(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,20,23)
InChIKeyPTMKJKXYUSGBPQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.48
Rot. Bonds7

About 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide

6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide (PubChem CID 67956378) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide
PubChem CID67956378
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-5-6-7-10-21-13-15(18(23)20-12-14-8-9-14)16(22)11-17(21)19(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,20,23)
InChIKeyPTMKJKXYUSGBPQ-UHFFFAOYSA-N
XLogP3.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide (CID 67956378) is 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide is CCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide?
The InChIKey is PTMKJKXYUSGBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-6-7-10-21-13-15(18(23)20-12-14-8-9-14)16(22)11-17(21)19(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,20,23).
What are the key properties of 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide?
6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(cyclopropylmethyl)-4-oxo-1-pentylpyridine-3-carboxamide is sourced from PubChem (CID 67956378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).